[Wien] lapw2 error

[yan song]

I tried to run wien2k_05 for my old cases. When I used the 1x1x1 k points,
the job was done properly, but when I increased the k points, such as 1x1x2
or 3x3x6, each time, the job was stopped by the lapw2 error as following:

'l2main' - QTL-B.GT.7., Ghostbands, check scf files

Can anyone help me sort out it?


Thanks

Yan Song
Department of Materials,
Queen Mary, University of London
Mile End Road, London E1 4NS
UK


-----Original Message-----
From: wien-admin at zeus.theochem.tuwien.ac.at
[mailto:wien-admin at zeus.theochem.tuwien.ac.at] On Behalf Of L. D. Marks
Sent: Friday, March 25, 2005 1:21 PM
To: wien at zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] lapw2 error

I think there might be a problem with the very latest ifort (released in
March 2005) in terms of output, although it might be icc 8.1 (since the
C++ libraries I think are used for I/O). I recompiled everything yesterday
and
lapwdm has stopped working; even the old version no longer works
indicating some issues in the shared libraries.

On Fri, 25 Mar 2005, Michael Gurnett wrote:

> We also found alot of problems with ifort, so we opted to run redhat 7.3
> with ifc 7.1 and mkl7.2. This is, as far as we found, the most stable
option
>
> Michael
> ----- Original Message -----
> From: "Stefaan Cottenier" <Stefaan.Cottenier at fys.kuleuven.ac.be>
> To: <wien at zeus.theochem.tuwien.ac.at>
> Sent: Friday, March 25, 2005 9:57 AM
> Subject: Re: [Wien] lapw2 error
>
>
> >
> >> I am using WIEN2k_05 version with ifc 8.1 and mkl 7.0. I am trying to
> >> recalculate the test cases (e.g. bccFe as explained in Cottainer's
> >> textbook).
> >> I tried to use in1new scheme but again an error message was given as
> >> below:
> >>
> >> libc.so.6          40256500  Unknown               Unknown  Unknown
> >
> > Does this happen for all cases (also TiC)? I guess you have problems to
> > obtain a properly compiled version (might be difficult on somewhat older
> > Linux distributions). We too are still struggling to get version 5.2
> > working in a stable way with ifort 8.1 and mkl 7.2.
> >
> > Stefaan
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> >
>
>
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>

-----------------------------------------------
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L - marks @ northwestern . edu
http://www.numis.northwestern.edu
-----------------------------------------------

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